3-amino-2-(2,4-dimethyl-1,4-diazepan-1-yl)benzamide

C14H22N4O — CID 114087272

IUPAC3-amino-2-(2,4-dimethyl-1,4-diazepan-1-yl)benzamide
SMILESCC1CN(C)CCCN1c1c(N)cccc1C(N)=O
InChIInChI=1S/C14H22N4O/c1-10-9-17(2)7-4-8-18(10)13-11(14(16)19)5-3-6-12(13)15/h3,5-6,10H,4,7-9,15H2,1-2H3,(H2,16,19)
InChIKeyGLDMRTWJHBFXQF-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.90
Rot. Bonds2

About 3-amino-2-(2,4-dimethyl-1,4-diazepan-1-yl)benzamide

3-amino-2-(2,4-dimethyl-1,4-diazepan-1-yl)benzamide (PubChem CID 114087272) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-amino-2-(2,4-dimethyl-1,4-diazepan-1-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-(2,4-dimethyl-1,4-diazepan-1-yl)benzamide
PubChem CID114087272
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-amino-2-(2,4-dimethyl-1,4-diazepan-1-yl)benzamide
SMILESCC1CN(C)CCCN1c1c(N)cccc1C(N)=O
InChIInChI=1S/C14H22N4O/c1-10-9-17(2)7-4-8-18(10)13-11(14(16)19)5-3-6-12(13)15/h3,5-6,10H,4,7-9,15H2,1-2H3,(H2,16,19)
InChIKeyGLDMRTWJHBFXQF-UHFFFAOYSA-N
XLogP0.90
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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3-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzamide
CID 112579335
3-amino-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)benzamide
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3-amino-2-(1-oxo-1,4-thiazinan-4-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,4-dimethyl-1,4-diazepan-1-yl)benzamide?
The IUPAC name of 3-amino-2-(2,4-dimethyl-1,4-diazepan-1-yl)benzamide (CID 114087272) is 3-amino-2-(2,4-dimethyl-1,4-diazepan-1-yl)benzamide.
What is the SMILES notation for 3-amino-2-(2,4-dimethyl-1,4-diazepan-1-yl)benzamide?
The canonical SMILES for 3-amino-2-(2,4-dimethyl-1,4-diazepan-1-yl)benzamide is CC1CN(C)CCCN1c1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-(2,4-dimethyl-1,4-diazepan-1-yl)benzamide?
The InChIKey is GLDMRTWJHBFXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-9-17(2)7-4-8-18(10)13-11(14(16)19)5-3-6-12(13)15/h3,5-6,10H,4,7-9,15H2,1-2H3,(H2,16,19).
What are the key properties of 3-amino-2-(2,4-dimethyl-1,4-diazepan-1-yl)benzamide?
3-amino-2-(2,4-dimethyl-1,4-diazepan-1-yl)benzamide has a molecular weight of 262.36 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,4-dimethyl-1,4-diazepan-1-yl)benzamide is sourced from PubChem (CID 114087272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).